HRID140945

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID12052

Silane, triethyl-

C6H16Si

结构：CCOC(C(=O)OC)C(O)c1ccc(-c2cccc(CNCC(=O)OC(C)(C)C)c2)cc1

HCID178468109

未命名化合物

PRODUCTS

生成物

结构：CCOC(C(=O)OC)C(O)c1ccc(-c2cccc(CNC)c2)cc1

HCID68850935

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-233d8244314c4b1baf158e60c7c1d653
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[CH2:8][NH:9][CH2:10][c:11]1[cH:12][c:13](-[c:17]2[cH:18][cH:19][c:20]([CH:23]([CH:24]([C:25](=[O:26])[O:27][CH3:28])[O:29][CH2:30][CH3:31])[OH:32])[cH:21][cH:22]2)[cH:14][cH:15][cH:16]1)([CH3:5])([CH3:6])[CH3:7].[CH2:33]([SiH:34]([CH2:35][CH3:36])[CH2:37][CH3:38])[CH3:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[Na+:47].[OH-:46].[OH:48][C:49]([C:50]([F:51])([F:52])[F:53])=[O:54]>>[CH3:8][NH:9][CH2:10][c:11]1[cH:12][c:13](-[c:17]2[cH:18][cH:19][c:20]([CH:23]([CH:24]([C:25](=[O:26])[O:27][CH3:28])[O:29][CH2:30][CH3:31])[OH:32])[cH:21][cH:22]2)[cH:14][cH:15][cH:16]1